CID 101027078

C32H55O2 — CID 101027078

IUPAC—
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(cc(C(C)C)c([O])c2C(C)C)O1
InChIInChI=1S/C32H55O2/c1-22(2)13-10-14-25(7)15-11-16-26(8)17-12-19-32(9)20-18-27-29(34-32)21-28(23(3)4)31(33)30(27)24(5)6/h21-26H,10-20H2,1-9H3/t25-,26-,32-/m1/s1
InChIKeyHNZHURYPRPQIBI-ZAOJZYTHSA-N
MW471.79 g/mol
LogP10.60
Rot. Bonds14

About CID 101027078

CID 101027078 (PubChem CID 101027078) has the molecular formula C32H55O2 and a molecular weight of 471.79 g/mol.

Molecular Properties

Compound NameCID 101027078
PubChem CID101027078
Molecular FormulaC32H55O2
Molecular Weight471.79 g/mol
Exact Mass471.42
IUPAC Name—
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(cc(C(C)C)c([O])c2C(C)C)O1
InChIInChI=1S/C32H55O2/c1-22(2)13-10-14-25(7)15-11-16-26(8)17-12-19-32(9)20-18-27-29(34-32)21-28(23(3)4)31(33)30(27)24(5)6/h21-26H,10-20H2,1-9H3/t25-,26-,32-/m1/s1
InChIKeyHNZHURYPRPQIBI-ZAOJZYTHSA-N
XLogP10.60
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.79
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 101027078?
The IUPAC name of CID 101027078 (CID 101027078) is not available.
What is the SMILES notation for CID 101027078?
The canonical SMILES for CID 101027078 is CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(cc(C(C)C)c([O])c2C(C)C)O1.
What is the InChIKey of CID 101027078?
The InChIKey is HNZHURYPRPQIBI-ZAOJZYTHSA-N. The full InChI is InChI=1S/C32H55O2/c1-22(2)13-10-14-25(7)15-11-16-26(8)17-12-19-32(9)20-18-27-29(34-32)21-28(23(3)4)31(33)30(27)24(5)6/h21-26H,10-20H2,1-9H3/t25-,26-,32-/m1/s1.
What are the key properties of CID 101027078?
CID 101027078 has a molecular weight of 471.79 g/mol, XLogP of 10.60, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101027078 is sourced from PubChem (CID 101027078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).